N-(quinolin-4-ylmethyl)cyclohexanamine

C16H20N2 — CID 62337129

IUPACN-(quinolin-4-ylmethyl)cyclohexanamine
SMILESc1ccc2c(CNC3CCCCC3)ccnc2c1
InChIInChI=1S/C16H20N2/c1-2-6-14(7-3-1)18-12-13-10-11-17-16-9-5-4-8-15(13)16/h4-5,8-11,14,18H,1-3,6-7,12H2
InChIKeyCIVJWYVWCMKXLL-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.66
Rot. Bonds3

About N-(quinolin-4-ylmethyl)cyclohexanamine

N-(quinolin-4-ylmethyl)cyclohexanamine (PubChem CID 62337129) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-(quinolin-4-ylmethyl)cyclohexanamine.

Molecular Properties

Compound NameN-(quinolin-4-ylmethyl)cyclohexanamine
PubChem CID62337129
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC NameN-(quinolin-4-ylmethyl)cyclohexanamine
SMILESc1ccc2c(CNC3CCCCC3)ccnc2c1
InChIInChI=1S/C16H20N2/c1-2-6-14(7-3-1)18-12-13-10-11-17-16-9-5-4-8-15(13)16/h4-5,8-11,14,18H,1-3,6-7,12H2
InChIKeyCIVJWYVWCMKXLL-UHFFFAOYSA-N
XLogP3.66
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(quinolin-4-ylmethyl)cyclohexanamine?
The IUPAC name of N-(quinolin-4-ylmethyl)cyclohexanamine (CID 62337129) is N-(quinolin-4-ylmethyl)cyclohexanamine.
What is the SMILES notation for N-(quinolin-4-ylmethyl)cyclohexanamine?
The canonical SMILES for N-(quinolin-4-ylmethyl)cyclohexanamine is c1ccc2c(CNC3CCCCC3)ccnc2c1.
What is the InChIKey of N-(quinolin-4-ylmethyl)cyclohexanamine?
The InChIKey is CIVJWYVWCMKXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-2-6-14(7-3-1)18-12-13-10-11-17-16-9-5-4-8-15(13)16/h4-5,8-11,14,18H,1-3,6-7,12H2.
What are the key properties of N-(quinolin-4-ylmethyl)cyclohexanamine?
N-(quinolin-4-ylmethyl)cyclohexanamine has a molecular weight of 240.35 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(quinolin-4-ylmethyl)cyclohexanamine is sourced from PubChem (CID 62337129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).